A0A5K4F4U6_SCHMA Loading...

Transposase

AlphaFold DB , UniProt , Accession A0A5K4F4U6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 aa.

						>A0A5K4F4U6_SCHMA|A0A5K4F4U6
MKGNDIKSYPLSSMCSDFVTDRLRYVMNREYVQSLHCEDDFHYKLTSAIKSLKNGKHWITCSFNSGTLQQFRMELSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	39.5	Very low	248 Å²	248	130.3 Å²	130.3	100%	1.222	70%	0.698	S	S	*	*				0	120.8	0	-71.4	173.6	165.6	0	0	107.6
2	K	33.6	Very low	39.6	Very low	208 Å²	208	127 Å²	127	90%	0.904	69%	0.693	S	S	*	*			trans	-65.9	133.2	176.7	-80.8	177.8	172.8	178.5	0	108.6	N4	K2-N4 PolarHBondContact O-N 2.91Å
3	G	30.4	Very low	40.1	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	67%	0.667	S	S	*	*			trans	-62.5	114.9	178.7	0	0	0	0	0	110	D5	G3-D5 PolarHBondContact O-N 2.94Å
4	N	38.3	Very low	41	Very low	154 Å²	154	113.3 Å²	113.3	82%	0.824	62%	0.623	S	S	*	*			trans	-68.4	123.7	164.3	-81.9	-20.9	0	0	0	107.3	K2 I6	K2-N4 PolarHBondContact O-N 2.91Å; N4-I6 PolarHBondContact O-N 2.92Å
5	D	36.7	Very low	41.4	Very low	147 Å²	147	107.3 Å²	107.3	79%	0.786	59%	0.592	S	S	*	*			trans	-44.1	128.5	172.8	-70	-50.2	0	0	0	110.6	G3 K7	G3-D5 PolarHBondContact O-N 2.94Å; D5-K7 VanDerWaalsContact C-N 3.33Å; D5-K7 PolarHBondContact O-N 3.18Å
6	I	35.7	Very low	42	Very low	95 Å²	95	106 Å²	106	49%	0.487	59%	0.593	S	S	.	*			trans	-67.6	97.7	172.9	-62.2	171.5	0	0	0	106.4	N4 S8	N4-I6 PolarHBondContact O-N 2.92Å; I6-S8 PolarHBondContact O-N 3.26Å
7	K	39.9	Very low	42.5	Very low	144 Å²	144	105.1 Å²	105.1	63%	0.626	59%	0.586	S	S	*	*			trans	-75.3	115.3	166.8	-70.5	-175.2	-179.9	-178.2	0	108.2	D5 Y9	D5-K7 VanDerWaalsContact C-N 3.33Å; D5-K7 PolarHBondContact O-N 3.18Å; K7-Y9 HydrophobicContact CB-CD2 4.14Å; K7-Y9 HydrophobicContact CB-CE2 3.57Å; K7-Y9 HydrophobicContact CD-CE2 4.35Å; K7-Y9 WeakPolarHBondContact O-CD2 3.41Å; K7-Y9 PolarHBondContact O-N 3.42Å
8	S	41.4	Very low	43.1	Very low	113 Å²	113	100.1 Å²	100.1	79%	0.79	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-75.4	117.8	166.8	-59.8	0	0	0	0	108.6	I6	I6-S8 PolarHBondContact O-N 3.26Å
9	Y	46.5	Very low	43.4	Very low	98 Å²	98	98.8 Å²	98.8	38%	0.384	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-96.7	130.9	173.2	-75	-96.7	0	0	0	109.2	K7 L11 F71	K7-Y9 HydrophobicContact CB-CD2 4.14Å; K7-Y9 HydrophobicContact CB-CE2 3.57Å; K7-Y9 HydrophobicContact CD-CE2 4.35Å; K7-Y9 WeakPolarHBondContact O-CD2 3.41Å; K7-Y9 PolarHBondContact O-N 3.42Å; Y9-L11 PolarHBondContact O-N 3.09Å; Y9-F71 AromaticContact CD2-CD1 3.91Å; Y9-F71 HydrophobicContact CD2-CD1 3.91Å; Y9-F71 AromaticContact CD2-CE1 3.53Å; Y9-F71 HydrophobicContact CD2-CE1 3.53Å; Y9-F71 HydrophobicContact CE2-CD1 4.31Å; Y9-F71 AromaticContact CE2-CE1 3.59Å; Y9-F71 HydrophobicContact CE2-CE1 3.59Å; Y9-F71 HydrophobicContact CG-CE1 4.44Å
10	P	47.5	Very low	43.8	Very low	74 Å²	74	94.1 Å²	94.1	48%	0.481	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-57	134.6	167.5	-17	27.9	0	0	0	109.2	S12 S13 M14	P10-S12 PolarHBondContact O-N 3.2Å; P10-S12 VanDerWaalsContact O-N 3.11Å; P10-S13 WeakPolarHBondContact O-CA 3.38Å; P10-S13 WeakPolarHBondContact O-CB 3.47Å; P10-S13 PolarHBondContact O-N 2.83Å; P10-M14 PolarHBondContact O-N 3.41Å; P10-M14 VanDerWaalsContact O-N 3.13Å
11	L	48.7	Very low	43.9	Very low	78 Å²	78	94.3 Å²	94.3	41%	0.408	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.8	177.1	-91.2	154.9	0	0	0	112.7	Y9 M14 C15 L45 I49	Y9-L11 PolarHBondContact O-N 3.09Å; L11-M14 PolarHBondContact O-N 2.73Å; L11-C15 PolarHBondContact O-SG 3.39Å; L11-L45 HydrophobicContact CD2-CD1 4.43Å; L11-L45 HydrophobicContact CD2-CD2 3.57Å; L11-L45 HydrophobicContact CD2-CG 3.89Å; L11-I49 HydrophobicContact CD1-CD1 3.81Å; L11-I49 HydrophobicContact CD2-CD1 3.25Å; L11-I49 HydrophobicContact CG-CD1 4.14Å
12	S	41.1	Very low	44.4	Very low	91 Å²	91	89.6 Å²	89.6	64%	0.636	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.9	175.2	51.4	0	0	0	0	113.5	P10 M14	P10-S12 PolarHBondContact O-N 3.2Å; P10-S12 VanDerWaalsContact O-N 3.11Å; S12-M14 VanDerWaalsContact C-N 3.33Å
13	S	46.1	Very low	45.2	Very low	51 Å²	51	79.7 Å²	79.7	36%	0.357	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-77.9	-21.8	174.5	-47.6	0	0	0	0	112	P10 C15	P10-S13 WeakPolarHBondContact O-CA 3.38Å; P10-S13 WeakPolarHBondContact O-CB 3.47Å; P10-S13 PolarHBondContact O-N 2.83Å; S13-C15 PolarHBondContact O-N 3.32Å
14	M	51.9	Low	46.3	Very low	11 Å²	11	81.8 Å²	81.8	5%	0.054	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-75.4	-1.6	177.7	-68.2	-175.9	70.9	0	0	113.9	P10 L11 S12 F18 F41 F71	P10-M14 PolarHBondContact O-N 3.41Å; P10-M14 VanDerWaalsContact O-N 3.13Å; L11-M14 PolarHBondContact O-N 2.73Å; S12-M14 VanDerWaalsContact C-N 3.33Å; M14-F18 HydrophobicContact CB-CD2 4.13Å; M14-F18 HydrophobicContact CB-CE2 3.61Å; M14-F18 HydrophobicContact CB-CZ 4.12Å; M14-F18 HydrophobicContact CE-CE1 4.03Å; M14-F18 HydrophobicContact CE-CE2 4.21Å; M14-F18 HydrophobicContact CE-CZ 3.51Å; M14-F18 HydrophobicContact CG-CE2 3.84Å; M14-F18 HydrophobicContact CG-CZ 4.03Å; M14-F18 WeakPolarHBondContact O-CD2 3.21Å; M14-F18 VanDerWaalsContact O-CE2 3.29Å; M14-F18 WeakPolarHBondContact O-CE2 3.43Å; M14-F18 VanDerWaalsContact O-CG 3.24Å; M14-F18 WeakPolarHBondContact O-CG 3.49Å; M14-F41 WeakPolarHBondContact O-CE1 3.28Å; M14-F71 HydrophobicContact CE-CD2 4.06Å; M14-F71 HydrophobicContact CE-CE2 4.4Å; M14-F71 HydrophobicContact CE-CG 4.39Å
15	C	47.1	Very low	47	Very low	24 Å²	24	74.8 Å²	74.8	16%	0.162	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-106.5	-9.8	-173.7	-60.1	0	0	0	0	114.5	L11 S13 F41 H42	L11-C15 PolarHBondContact O-SG 3.39Å; S13-C15 PolarHBondContact O-N 3.32Å; C15-F41 HydrophobicContact CB-CD1 3.86Å; C15-F41 HydrophobicContact CB-CE1 4.13Å; C15-H42 WeakPolarHBondContact CB-CE1 3.49Å; C15-H42 WeakPolarHBondContact CB-ND1 3.49Å; C15-H42 WeakPolarHBondContact CB-NE2 3.29Å; C15-H42 PolarHBondContact SG-CD2 3.08Å; C15-H42 PolarHBondContact SG-NE2 3.36Å; C15-H42 VanDerWaalsContact SG-NE2 3.36Å
16	S	50.6	Low	47.6	Very low	86 Å²	86	70.1 Å²	70.1	60%	0.601	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-32.1	173.6	56.9	0	0	0	0	113.4
17	D	50.8	Low	48.1	Very low	90 Å²	90	68.3 Å²	68.3	48%	0.481	37%	0.366	S	S	.	.	S	Bend	trans	-97.6	-2.3	-167.2	-63.1	-1.4	0	0	0	113.4	F63 N64	D17-F63 HydrophobicContact CB-CD1 4.35Å; D17-F63 HydrophobicContact CB-CE1 4.33Å; D17-F63 WeakPolarHBondContact O-CD1 3.29Å; D17-N64 PolarHBondContact O-OD1 3.41Å
18	F	54.4	Low	48.2	Very low	15 Å²	15	68 Å²	68	7%	0.066	37%	0.371	C	S	.	.			trans	-113.4	100.8	-168.2	-72.4	-99	0	0	0	112	M14 T20 F41 C61 F63 F71	M14-F18 HydrophobicContact CB-CD2 4.13Å; M14-F18 HydrophobicContact CB-CE2 3.61Å; M14-F18 HydrophobicContact CB-CZ 4.12Å; M14-F18 HydrophobicContact CE-CE1 4.03Å; M14-F18 HydrophobicContact CE-CE2 4.21Å; M14-F18 HydrophobicContact CE-CZ 3.51Å; M14-F18 HydrophobicContact CG-CE2 3.84Å; M14-F18 HydrophobicContact CG-CZ 4.03Å; M14-F18 WeakPolarHBondContact O-CD2 3.21Å; M14-F18 VanDerWaalsContact O-CE2 3.29Å; M14-F18 WeakPolarHBondContact O-CE2 3.43Å; M14-F18 VanDerWaalsContact O-CG 3.24Å; M14-F18 WeakPolarHBondContact O-CG 3.49Å; F18-T20 HydrophobicContact CB-CG2 4.05Å; F18-T20 HydrophobicContact CD1-CG2 4.04Å; F18-T20 PolarHBondContact O-N 3.3Å; F18-F41 HydrophobicContact CB-CE1 4.17Å; F18-F41 HydrophobicContact CB-CE2 4.09Å; F18-F41 HydrophobicContact CB-CZ 3.78Å; F18-F41 HydrophobicContact CD1-CZ 4.43Å; F18-F41 HydrophobicContact CG-CZ 4.09Å; F18-C61 HydrophobicContact CD1-CB 3.43Å; F18-C61 VanDerWaalsContact CD1-CB 3.43Å; F18-C61 HydrophobicContact CE1-CB 3.15Å; F18-C61 VanDerWaalsContact CE1-SG 3.56Å; F18-C61 HydrophobicContact CZ-CB 4.38Å; F18-F63 HydrophobicContact CD1-CD1 4.38Å; F18-F63 HydrophobicContact CD1-CE1 4.04Å; F18-F63 HydrophobicContact CD1-CE2 4.11Å; F18-F63 AromaticContact CD1-CZ 3.9Å; F18-F63 HydrophobicContact CD1-CZ 3.9Å; F18-F63 HydrophobicContact CD2-CD1 4.48Å; F18-F63 AromaticContact CD2-CE1 3.93Å; F18-F63 HydrophobicContact CD2-CE1 3.93Å; F18-F63 HydrophobicContact CD2-CZ 4.38Å; F18-F63 HydrophobicContact CE1-CD1 4.37Å; F18-F63 HydrophobicContact CE1-CD2 4.29Å; F18-F63 AromaticContact CE1-CE1 3.63Å; F18-F63 HydrophobicContact CE1-CE1 3.63Å; F18-F63 AromaticContact CE1-CE2 3.48Å; F18-F63 HydrophobicContact CE1-CE2 3.48Å; F18-F63 VanDerWaalsContact CE1-CE2 3.48Å; F18-F63 AromaticContact CE1-CZ 3.13Å; F18-F63 HydrophobicContact CE1-CZ 3.13Å; F18-F63 AromaticContact CE2-CE1 3.56Å; F18-F63 HydrophobicContact CE2-CE1 3.56Å; F18-F63 AromaticContact CE2-CZ 3.74Å; F18-F63 HydrophobicContact CE2-CZ 3.74Å; F18-F63 HydrophobicContact CG-CE1 4.25Å; F18-F63 AromaticContact CZ-CE1 3.47Å; F18-F63 HydrophobicContact CZ-CE1 3.47Å; F18-F63 VanDerWaalsContact CZ-CE1 3.47Å; F18-F63 AromaticContact CZ-CE2 3.96Å; F18-F63 HydrophobicContact CZ-CE2 3.96Å; F18-F63 AromaticContact CZ-CZ 3.12Å; F18-F63 HydrophobicContact CZ-CZ 3.12Å; F18-F71 AromaticContact CE1-CE2 3.89Å; F18-F71 HydrophobicContact CE1-CE2 3.89Å; F18-F71 AromaticContact CZ-CE2 3.84Å; F18-F71 HydrophobicContact CZ-CE2 3.84Å; F18-F71 HydrophobicContact CZ-CZ 4.11Å
19	V	48.7	Very low	48.3	Very low	77 Å²	77	74.5 Å²	74.5	47%	0.467	38%	0.378	S	S	.	.			trans	-85.8	94.2	157	167.2	0	0	0	0	105.5	S62 N64	V19-S62 VanDerWaalsContact O-O 3.08Å; V19-N64 WeakPolarHBondContact CA-OD1 3.48Å; V19-N64 HydrophobicContact CB-CB 4.32Å; V19-N64 WeakPolarHBondContact CB-OD1 3.25Å; V19-N64 HydrophobicContact CG2-CB 4.18Å; V19-N64 WeakPolarHBondContact CG2-ND2 3.39Å; V19-N64 WeakPolarHBondContact CG2-OD1 3.2Å; V19-N64 PolarHBondContact N-OD1 2.92Å
20	T	51.1	Low	48.1	Very low	4 Å²	4	78.2 Å²	78.2	3%	0.025	40%	0.399	C	S	.	.			trans	-108.2	94	177.1	55.9	0	0	0	0	110.1	F18 R22 L23 C37 F41 C61 S62	F18-T20 HydrophobicContact CB-CG2 4.05Å; F18-T20 HydrophobicContact CD1-CG2 4.04Å; F18-T20 PolarHBondContact O-N 3.3Å; T20-R22 PolarHBondContact O-N 2.88Å; T20-L23 HydrophobicContact CG2-CD2 4.37Å; T20-L23 HydrophobicContact CG2-CG 4.2Å; T20-C37 VanDerWaalsContact O-CB 3.29Å; T20-C37 WeakPolarHBondContact O-CB 3.48Å; T20-C37 PolarHBondContact O-N 3.42Å; T20-F41 HydrophobicContact CG2-CE2 3.84Å; T20-F41 WeakPolarHBondContact OG1-CD2 3.48Å; T20-F41 WeakPolarHBondContact OG1-CE2 3.27Å; T20-C61 HydrophobicContact CG2-CB 4.26Å; T20-S62 WeakPolarHBondContact CG2-O 3.43Å
21	D	45	Very low	47.9	Very low	99 Å²	99	81.8 Å²	81.8	53%	0.529	40%	0.404	S	S	.	.	S	Bend	trans	-61.2	-24	156.1	-75.1	-19.3	0	0	0	109.8	H36	D21-H36 VanDerWaalsContact O-CA 3.27Å; D21-H36 WeakPolarHBondContact O-CA 3.5Å; D21-H36 PolarHBondContact O-ND1 3.3Å; D21-H36 IonicContact OD1-CE1 3.99Å
22	R	46.3	Very low	47.9	Very low	148 Å²	148	82.4 Å²	82.4	56%	0.558	41%	0.411	S	S	*	.			trans	-146	115.5	177.9	-68.1	-173.9	166.3	176.9	-8.1	112.6	T20 L35	T20-R22 PolarHBondContact O-N 2.88Å; R22-L35 CarbonylContact C-O 3.42Å; R22-L35 VanDerWaalsContact CA-O 3.28Å; R22-L35 WeakPolarHBondContact CA-O 3.45Å
23	L	51.6	Low	48.2	Very low	0 Å²	0	82.3 Å²	82.3	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.3	157.9	-83.2	162.7	0	0	0	108.3	T20 Y25 S34 L35 F41 L45 I59 C61	T20-L23 HydrophobicContact CG2-CD2 4.37Å; T20-L23 HydrophobicContact CG2-CG 4.2Å; L23-Y25 HydrophobicContact CB-CE2 3.83Å; L23-Y25 HydrophobicContact CD1-CE2 4.46Å; L23-S34 CarbonylContact O-C 3.53Å; L23-S34 WeakPolarHBondContact O-CA 3.5Å; L23-L35 HydrophobicContact CB-CB 4.12Å; L23-L35 PolarHBondContact N-O 2.86Å; L23-L35 PolarHBondContact O-N 2.96Å; L23-F41 HydrophobicContact CD1-CD2 4.19Å; L23-F41 HydrophobicContact CD1-CE2 3.57Å; L23-F41 HydrophobicContact CD1-CZ 4.3Å; L23-F41 HydrophobicContact CD2-CE2 4.27Å; L23-F41 HydrophobicContact CG-CE2 4.01Å; L23-L45 HydrophobicContact CD1-CD1 4.31Å; L23-I59 HydrophobicContact CD2-CG2 3.87Å; L23-C61 HydrophobicContact CD2-CB 4.12Å; L23-C61 WeakPolarHBondContact CD2-SG 3.34Å
24	R	52.9	Low	48.3	Very low	119 Å²	119	82.6 Å²	82.6	45%	0.449	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.1	171.3	-75.3	-176.1	-179.3	167	2.4	109.9	V32 Q33 S34 T60	R24-V32 HydrophobicContact CB-CG1 4.27Å; R24-V32 HydrophobicContact CG-CG1 4.18Å; R24-Q33 WeakPolarHBondContact CA-O 3.29Å; R24-S34 WeakPolarHBondContact CG-OG 3.21Å; R24-T60 PolarHBondContact N-O 3.33Å; R24-T60 PolarHBondContact O-N 3.13Å
25	Y	54	Low	48.2	Very low	7 Å²	7	83.8 Å²	83.8	3%	0.027	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.8	172.2	-61.8	-93.2	0	0	0	109	L23 V32 Q33 L35 L45 A48 L52 W58 I59	L23-Y25 HydrophobicContact CB-CE2 3.83Å; L23-Y25 HydrophobicContact CD1-CE2 4.46Å; Y25-V32 VanDerWaalsContact O-CA 3.25Å; Y25-V32 WeakPolarHBondContact O-CA 3.44Å; Y25-Q33 PolarHBondContact N-O 3.37Å; Y25-Q33 PolarHBondContact O-N 3.33Å; Y25-L35 HydrophobicContact CD2-CD1 4.25Å; Y25-L35 HydrophobicContact CE2-CD1 3.44Å; Y25-L35 VanDerWaalsContact CE2-CD1 3.44Å; Y25-L35 HydrophobicContact CE2-CG 4.08Å; Y25-L45 WeakPolarHBondContact OH-CD1 3.33Å; Y25-A48 HydrophobicContact CE1-CB 4.27Å; Y25-A48 HydrophobicContact CE2-CB 3.87Å; Y25-A48 WeakPolarHBondContact OH-CB 3.4Å; Y25-L52 HydrophobicContact CD1-CD1 4.23Å; Y25-L52 HydrophobicContact CE1-CD1 4.43Å; Y25-W58 WeakPolarHBondContact CA-O 3.06Å; Y25-I59 HydrophobicContact CD1-CB 4.37Å; Y25-I59 HydrophobicContact CD1-CD1 4.45Å; Y25-I59 HydrophobicContact CD1-CG1 3.83Å; Y25-I59 HydrophobicContact CD1-CG2 4.09Å; Y25-I59 HydrophobicContact CE1-CB 4.25Å; Y25-I59 HydrophobicContact CE1-CD1 3.9Å; Y25-I59 HydrophobicContact CE1-CG1 3.74Å; Y25-I59 HydrophobicContact CE1-CG2 3.66Å
26	V	47.9	Very low	48.3	Very low	49 Å²	49	86.8 Å²	86.8	30%	0.297	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106.3	168.4	-178	0	0	0	0	107.7	Y31 V32 W58	V26-Y31 WeakPolarHBondContact CA-O 3.42Å; V26-V32 HydrophobicContact CG2-CG2 4.41Å; V26-W58 HydrophobicContact CB-CB 4.29Å; V26-W58 PolarHBondContact N-O 2.96Å
27	M	46.1	Very low	48.3	Very low	56 Å²	56	83.3 Å²	83.3	28%	0.276	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.1	171	-65.4	-167.6	-69.9	0	0	109.3	R29 E30 Y31 L52	M27-R29 VanDerWaalsContact C-N 3.26Å; M27-R29 PolarHBondContact O-N 2.95Å; M27-E30 PolarHBondContact O-N 2.77Å; M27-Y31 VanDerWaalsContact CE-CB 3.5Å; M27-Y31 HydrophobicContact CE-CD1 3.67Å; M27-Y31 HydrophobicContact CE-CG 3.76Å; M27-Y31 PolarHBondContact N-O 2.82Å; M27-Y31 PolarHBondContact O-N 2.81Å; M27-L52 HydrophobicContact CG-CD2 3.85Å; M27-L52 HydrophobicContact SD-CD2 3.62Å
28	N	43.3	Very low	48.3	Very low	139 Å²	139	85.1 Å²	85.1	74%	0.743	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	34.3	52.4	167.6	-80.2	-17.1	0	0	0	115.2	E30	N28-E30 PolarHBondContact O-N 3.04Å
29	R	43.3	Very low	48.2	Very low	249 Å²	249	92.5 Å²	92.5	94%	0.94	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	1.5	179.8	-64.5	-175.9	168.3	-175.7	-2.9	117.1	M27	M27-R29 VanDerWaalsContact C-N 3.26Å; M27-R29 PolarHBondContact O-N 2.95Å
30	E	41.4	Very low	48.8	Very low	175 Å²	175	93.8 Å²	93.8	82%	0.818	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-16.3	-169.1	-70.8	-172.2	137.9	0	0	114.9	M27 N28	M27-E30 PolarHBondContact O-N 2.77Å; N28-E30 PolarHBondContact O-N 3.04Å
31	Y	43	Very low	49.1	Very low	150 Å²	150	94.5 Å²	94.5	59%	0.588	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.3	-177.8	-124.7	-103	0	0	0	112.6	V26 M27	V26-Y31 WeakPolarHBondContact CA-O 3.42Å; M27-Y31 VanDerWaalsContact CE-CB 3.5Å; M27-Y31 HydrophobicContact CE-CD1 3.67Å; M27-Y31 HydrophobicContact CE-CG 3.76Å; M27-Y31 PolarHBondContact N-O 2.82Å; M27-Y31 PolarHBondContact O-N 2.81Å
32	V	49	Very low	49.5	Very low	91 Å²	91	95 Å²	95	55%	0.552	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	96.7	168.6	-176.4	0	0	0	0	108.8	R24 Y25 V26	R24-V32 HydrophobicContact CB-CG1 4.27Å; R24-V32 HydrophobicContact CG-CG1 4.18Å; Y25-V32 VanDerWaalsContact O-CA 3.25Å; Y25-V32 WeakPolarHBondContact O-CA 3.44Å; V26-V32 HydrophobicContact CG2-CG2 4.41Å
33	Q	46.9	Very low	50.1	Low	88 Å²	88	96.1 Å²	96.1	41%	0.411	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.7	168.6	-160.9	167.6	16.8	0	0	108.6	R24 Y25 L35	R24-Q33 WeakPolarHBondContact CA-O 3.29Å; Y25-Q33 PolarHBondContact N-O 3.37Å; Y25-Q33 PolarHBondContact O-N 3.33Å; Q33-L35 HydrophobicContact CG-CD2 4.47Å
34	S	49.7	Very low	50.3	Low	58 Å²	58	99.1 Å²	99.1	41%	0.406	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.5	169.9	-61.2	0	0	0	0	108.4	L23 R24	L23-S34 CarbonylContact O-C 3.53Å; L23-S34 WeakPolarHBondContact O-CA 3.5Å; R24-S34 WeakPolarHBondContact CG-OG 3.21Å
35	L	49.7	Very low	50.7	Low	35 Å²	35	93.6 Å²	93.6	18%	0.183	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.5	170.1	-60.6	172.1	0	0	0	109.4	R22 L23 Y25 Q33 A48	R22-L35 CarbonylContact C-O 3.42Å; R22-L35 VanDerWaalsContact CA-O 3.28Å; R22-L35 WeakPolarHBondContact CA-O 3.45Å; L23-L35 HydrophobicContact CB-CB 4.12Å; L23-L35 PolarHBondContact N-O 2.86Å; L23-L35 PolarHBondContact O-N 2.96Å; Y25-L35 HydrophobicContact CD2-CD1 4.25Å; Y25-L35 HydrophobicContact CE2-CD1 3.44Å; Y25-L35 VanDerWaalsContact CE2-CD1 3.44Å; Y25-L35 HydrophobicContact CE2-CG 4.08Å; Q33-L35 HydrophobicContact CG-CD2 4.47Å; L35-A48 HydrophobicContact CD1-CB 3.34Å
36	H	49.3	Very low	51	Low	88 Å²	88	96.4 Å²	96.4	41%	0.407	46%	0.463	S	S	.	.			trans	-94.3	113.6	173	-167.2	61.2	0	0	0	108.7	D21 E38 K44	D21-H36 VanDerWaalsContact O-CA 3.27Å; D21-H36 WeakPolarHBondContact O-CA 3.5Å; D21-H36 PolarHBondContact O-ND1 3.3Å; D21-H36 IonicContact OD1-CE1 3.99Å; H36-E38 IonicContact NE2-OE1 3.54Å; H36-K44 WeakPolarHBondContact O-CD 3.22Å; H36-K44 PolarHBondContact O-NZ 2.88Å
37	C	50	Low	51.6	Low	12 Å²	12	96.9 Å²	96.9	8%	0.081	47%	0.469	C	S	.	.			trans	-102.8	79.8	-177.4	-65.7	0	0	0	0	111	T20 F41 K44	T20-C37 VanDerWaalsContact O-CB 3.29Å; T20-C37 WeakPolarHBondContact O-CB 3.48Å; T20-C37 PolarHBondContact O-N 3.42Å; C37-F41 HydrophobicContact CB-CB 4.35Å; C37-F41 HydrophobicContact CB-CD2 3.9Å; C37-K44 HydrophobicContact CB-CD 4.31Å
38	E	51.2	Low	52.2	Low	128 Å²	128	94.5 Å²	94.5	60%	0.598	46%	0.458	S	S	*	.	S	Bend	trans	-76	125.8	154.3	-64.8	179.3	156.6	0	0	108.3	H36 D40 K44	H36-E38 IonicContact NE2-OE1 3.54Å; E38-D40 PolarHBondContact O-N 2.81Å; E38-K44 PolarHBondContact O-NZ 2.94Å
39	D	51.9	Low	53.2	Low	170 Å²	170	89.1 Å²	89.1	91%	0.909	43%	0.429	S	S	*	.	S	Bend	trans	48.3	-23.1	173.3	-63	-26.1	0	0	0	121
40	D	61	Low	54.1	Low	104 Å²	104	85.4 Å²	85.4	56%	0.556	42%	0.419	S	S	*	.			trans	-111.5	46.9	-175.8	-79.3	-37.1	0	0	0	113	E38 H42 Y43 K44	E38-D40 PolarHBondContact O-N 2.81Å; D40-H42 VanDerWaalsContact C-N 3.3Å; D40-H42 PolarHBondContact O-N 3.45Å; D40-Y43 PolarHBondContact O-N 2.87Å; D40-K44 PolarHBondContact O-N 3.42Å
41	F	57.3	Low	55.1	Low	20 Å²	20	80.6 Å²	80.6	9%	0.088	41%	0.405	C	S	.	.	H	α-helix	trans	-54.5	-44.5	-177.2	-179.7	-98	0	0	0	112.6	M14 C15 F18 T20 L23 C37 Y43 K44 L45	M14-F41 WeakPolarHBondContact O-CE1 3.28Å; C15-F41 HydrophobicContact CB-CD1 3.86Å; C15-F41 HydrophobicContact CB-CE1 4.13Å; F18-F41 HydrophobicContact CB-CE1 4.17Å; F18-F41 HydrophobicContact CB-CE2 4.09Å; F18-F41 HydrophobicContact CB-CZ 3.78Å; F18-F41 HydrophobicContact CD1-CZ 4.43Å; F18-F41 HydrophobicContact CG-CZ 4.09Å; T20-F41 HydrophobicContact CG2-CE2 3.84Å; T20-F41 WeakPolarHBondContact OG1-CD2 3.48Å; T20-F41 WeakPolarHBondContact OG1-CE2 3.27Å; L23-F41 HydrophobicContact CD1-CD2 4.19Å; L23-F41 HydrophobicContact CD1-CE2 3.57Å; L23-F41 HydrophobicContact CD1-CZ 4.3Å; L23-F41 HydrophobicContact CD2-CE2 4.27Å; L23-F41 HydrophobicContact CG-CE2 4.01Å; C37-F41 HydrophobicContact CB-CB 4.35Å; C37-F41 HydrophobicContact CB-CD2 3.9Å; F41-Y43 PolarHBondContact O-N 3.47Å; F41-K44 PolarHBondContact O-N 3.35Å; F41-L45 HydrophobicContact CD1-CD2 4.42Å; F41-L45 HydrophobicContact CE1-CB 4.41Å; F41-L45 HydrophobicContact CE1-CD2 3.54Å; F41-L45 HydrophobicContact CZ-CD2 3.75Å; F41-L45 WeakPolarHBondContact O-CB 3.42Å; F41-L45 PolarHBondContact O-N 2.7Å
42	H	54.2	Low	56.1	Low	110 Å²	110	74.2 Å²	74.2	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-47	178.4	-84.2	98.9	0	0	0	112.4	C15 D40 T46	C15-H42 WeakPolarHBondContact CB-CE1 3.49Å; C15-H42 WeakPolarHBondContact CB-ND1 3.49Å; C15-H42 WeakPolarHBondContact CB-NE2 3.29Å; C15-H42 PolarHBondContact SG-CD2 3.08Å; C15-H42 PolarHBondContact SG-NE2 3.36Å; C15-H42 VanDerWaalsContact SG-NE2 3.36Å; D40-H42 VanDerWaalsContact C-N 3.3Å; D40-H42 PolarHBondContact O-N 3.45Å; H42-T46 WeakPolarHBondContact O-CB 3.03Å; H42-T46 PolarHBondContact O-N 2.96Å; H42-T46 PolarHBondContact O-OG1 2.64Å
43	Y	57.5	Low	56.8	Low	170 Å²	170	78.5 Å²	78.5	67%	0.667	39%	0.392	S	S	*	.	H	α-helix	trans	-70.3	-43.1	-176.8	-174.5	-94.6	0	0	0	111	D40 F41 T46 S47	D40-Y43 PolarHBondContact O-N 2.87Å; F41-Y43 PolarHBondContact O-N 3.47Å; Y43-T46 PolarHBondContact O-N 2.98Å; Y43-S47 WeakPolarHBondContact O-CB 3.16Å; Y43-S47 PolarHBondContact O-N 2.84Å
44	K	57	Low	57.6	Low	64 Å²	64	79.6 Å²	79.6	28%	0.278	40%	0.401	S	S	.	.	H	α-helix	trans	-67.2	-42.5	178.8	-72.6	176.3	178.5	168.6	0	112	H36 C37 E38 D40 F41 S47 A48	H36-K44 WeakPolarHBondContact O-CD 3.22Å; H36-K44 PolarHBondContact O-NZ 2.88Å; C37-K44 HydrophobicContact CB-CD 4.31Å; E38-K44 PolarHBondContact O-NZ 2.94Å; D40-K44 PolarHBondContact O-N 3.42Å; F41-K44 PolarHBondContact O-N 3.35Å; K44-S47 PolarHBondContact O-N 2.93Å; K44-A48 VanDerWaalsContact O-CB 3.29Å; K44-A48 WeakPolarHBondContact O-CB 3.32Å; K44-A48 PolarHBondContact O-N 2.89Å
45	L	61.8	Low	58.3	Low	2 Å²	2	78.2 Å²	78.2	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-46.6	174	179.8	58	0	0	0	111	L11 L23 Y25 F41 S47 A48 I49	L11-L45 HydrophobicContact CD2-CD1 4.43Å; L11-L45 HydrophobicContact CD2-CD2 3.57Å; L11-L45 HydrophobicContact CD2-CG 3.89Å; L23-L45 HydrophobicContact CD1-CD1 4.31Å; Y25-L45 WeakPolarHBondContact OH-CD1 3.33Å; F41-L45 HydrophobicContact CD1-CD2 4.42Å; F41-L45 HydrophobicContact CE1-CB 4.41Å; F41-L45 HydrophobicContact CE1-CD2 3.54Å; F41-L45 HydrophobicContact CZ-CD2 3.75Å; F41-L45 WeakPolarHBondContact O-CB 3.42Å; F41-L45 PolarHBondContact O-N 2.7Å; L45-S47 PolarHBondContact O-N 2.8Å; L45-A48 WeakPolarHBondContact O-CB 2.96Å; L45-A48 PolarHBondContact O-N 2.87Å; L45-I49 HydrophobicContact CD1-CD1 3.74Å; L45-I49 HydrophobicContact CD1-CG1 4.2Å; L45-I49 HydrophobicContact CG-CD1 3.81Å; L45-I49 WeakPolarHBondContact O-CB 3.04Å; L45-I49 WeakPolarHBondContact O-CG1 3.24Å; L45-I49 PolarHBondContact O-N 3.18Å
46	T	59.3	Low	59.1	Low	66 Å²	66	81.8 Å²	81.8	41%	0.405	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-42.4	177.3	-58.1	0	0	0	0	111.6	H42 Y43 I49 K50	H42-T46 WeakPolarHBondContact O-CB 3.03Å; H42-T46 PolarHBondContact O-N 2.96Å; H42-T46 PolarHBondContact O-OG1 2.64Å; Y43-T46 PolarHBondContact O-N 2.98Å; T46-I49 PolarHBondContact O-N 3.28Å; T46-K50 HydrophobicContact CG2-CD 4.37Å; T46-K50 WeakPolarHBondContact O-CB 3.43Å; T46-K50 VanDerWaalsContact O-CG 3.29Å; T46-K50 WeakPolarHBondContact O-CG 2.67Å; T46-K50 PolarHBondContact O-N 3.45Å
47	S	59.9	Low	59.9	Low	60 Å²	60	78.2 Å²	78.2	42%	0.42	39%	0.393	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.9	-173.6	0	0	0	0	111.9	Y43 K44 L45 K50 S51	Y43-S47 WeakPolarHBondContact O-CB 3.16Å; Y43-S47 PolarHBondContact O-N 2.84Å; K44-S47 PolarHBondContact O-N 2.93Å; L45-S47 PolarHBondContact O-N 2.8Å; S47-K50 WeakPolarHBondContact O-CB 3.04Å; S47-K50 PolarHBondContact O-N 3.25Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 VanDerWaalsContact O-N 3.08Å
48	A	60.2	Low	60.7	Low	6 Å²	6	83.2 Å²	83.2	5%	0.05	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-46.9	173.4	0	0	0	0	0	111.3	Y25 L35 K44 L45 K50 S51 L52	Y25-A48 HydrophobicContact CE1-CB 4.27Å; Y25-A48 HydrophobicContact CE2-CB 3.87Å; Y25-A48 WeakPolarHBondContact OH-CB 3.4Å; L35-A48 HydrophobicContact CD1-CB 3.34Å; K44-A48 VanDerWaalsContact O-CB 3.29Å; K44-A48 WeakPolarHBondContact O-CB 3.32Å; K44-A48 PolarHBondContact O-N 2.89Å; L45-A48 WeakPolarHBondContact O-CB 2.96Å; L45-A48 PolarHBondContact O-N 2.87Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 3.26Å; A48-S51 PolarHBondContact O-N 2.77Å; A48-S51 VanDerWaalsContact O-N 3.09Å; A48-S51 PolarHBondContact O-OG 2.78Å; A48-L52 WeakPolarHBondContact O-CG 2.99Å; A48-L52 PolarHBondContact O-N 3.38Å
49	I	64.3	Low	61.5	Low	25 Å²	25	77.3 Å²	77.3	13%	0.128	38%	0.383	C	S	.	.	H	α-helix	trans	-64.9	-37.5	179.3	-68.3	168.2	0	0	0	110.8	L11 L45 T46 S51 L52 M73 L75	L11-I49 HydrophobicContact CD1-CD1 3.81Å; L11-I49 HydrophobicContact CD2-CD1 3.25Å; L11-I49 HydrophobicContact CG-CD1 4.14Å; L45-I49 HydrophobicContact CD1-CD1 3.74Å; L45-I49 HydrophobicContact CD1-CG1 4.2Å; L45-I49 HydrophobicContact CG-CD1 3.81Å; L45-I49 WeakPolarHBondContact O-CB 3.04Å; L45-I49 WeakPolarHBondContact O-CG1 3.24Å; L45-I49 PolarHBondContact O-N 3.18Å; T46-I49 PolarHBondContact O-N 3.28Å; I49-S51 VanDerWaalsContact C-N 3.26Å; I49-S51 PolarHBondContact O-N 2.91Å; I49-L52 WeakPolarHBondContact O-CB 3.42Å; I49-L52 PolarHBondContact O-N 3.42Å; I49-M73 HydrophobicContact CD1-CE 4.32Å; I49-M73 HydrophobicContact CD1-SD 4.1Å; I49-M73 HydrophobicContact CG1-CE 3.81Å; I49-M73 HydrophobicContact CG1-SD 4.25Å; I49-M73 HydrophobicContact CG2-CE 4.19Å; I49-L75 HydrophobicContact CG2-CD1 4.5Å; I49-L75 HydrophobicContact CG2-CD2 3.92Å
50	K	62.1	Low	62.2	Low	171 Å²	171	70.1 Å²	70.1	74%	0.743	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-28.1	173.5	-77.9	178.1	178.1	-177.5	0	113.3	T46 S47 A48	T46-K50 HydrophobicContact CG2-CD 4.37Å; T46-K50 WeakPolarHBondContact O-CB 3.43Å; T46-K50 VanDerWaalsContact O-CG 3.29Å; T46-K50 WeakPolarHBondContact O-CG 2.67Å; T46-K50 PolarHBondContact O-N 3.45Å; S47-K50 WeakPolarHBondContact O-CB 3.04Å; S47-K50 PolarHBondContact O-N 3.25Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 3.26Å
51	S	61.4	Low	62.5	Low	74 Å²	74	65.1 Å²	65.1	52%	0.517	32%	0.319	S	S	.	.	H	α-helix	trans	-83.9	-14.8	177.2	73.7	0	0	0	0	113.4	S47 A48 I49	S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 VanDerWaalsContact O-N 3.08Å; A48-S51 PolarHBondContact O-N 2.77Å; A48-S51 VanDerWaalsContact O-N 3.09Å; A48-S51 PolarHBondContact O-OG 2.78Å; I49-S51 VanDerWaalsContact C-N 3.26Å; I49-S51 PolarHBondContact O-N 2.91Å
52	L	64.1	Low	62.9	Low	16 Å²	16	65.5 Å²	65.5	8%	0.084	32%	0.324	C	S	.	.	S	Bend	trans	-76.3	131.8	175.7	-63.5	176.1	0	0	0	110.6	Y25 M27 A48 I49 H57 M73 L75	Y25-L52 HydrophobicContact CD1-CD1 4.23Å; Y25-L52 HydrophobicContact CE1-CD1 4.43Å; M27-L52 HydrophobicContact CG-CD2 3.85Å; M27-L52 HydrophobicContact SD-CD2 3.62Å; A48-L52 WeakPolarHBondContact O-CG 2.99Å; A48-L52 PolarHBondContact O-N 3.38Å; I49-L52 WeakPolarHBondContact O-CB 3.42Å; I49-L52 PolarHBondContact O-N 3.42Å; L52-H57 HydrophobicContact CD1-CB 4.18Å; L52-M73 HydrophobicContact CD1-CE 3.62Å; L52-L75 HydrophobicContact CB-CD1 3.37Å; L52-L75 HydrophobicContact CD1-CD1 4.12Å; L52-L75 HydrophobicContact CG-CD1 4.38Å
53	K	64	Low	63.3	Low	181 Å²	181	61.5 Å²	61.5	79%	0.787	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-77.4	162.8	171.2	-63.4	-176.3	179.2	-179	0	110.7	G55 H57	K53-G55 PolarHBondContact O-N 3.49Å; K53-H57 PolarHBondContact O-CE1 3.29Å; K53-H57 PolarHBondContact O-NE2 3.2Å
54	N	64.2	Low	63.3	Low	111 Å²	111	58.3 Å²	58.3	59%	0.594	30%	0.3	S	S	*	.	S	Bend	trans	-50.4	135.2	174.3	-62.1	-10.2	0	0	0	111.3	S77	N54-S77 WeakPolarHBondContact ND2-CB 3.48Å
55	G	64.3	Low	63.7	Low	29 Å²	29	59.5 Å²	59.5	30%	0.299	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.5	-172.4	-177.5	0	0	0	0	0	114.1	K53 H57 E74 L75	K53-G55 PolarHBondContact O-N 3.49Å; G55-H57 PolarHBondContact O-CD2 3.25Å; G55-E74 WeakPolarHBondContact O-CA 3.29Å; G55-L75 PolarHBondContact N-O 2.81Å; G55-L75 PolarHBondContact O-N 3.26Å
56	K	65.8	Low	63.8	Low	110 Å²	110	62.3 Å²	62.3	48%	0.478	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.3	179.9	-66.8	177.5	-179.7	172.1	0	109.6	M73 E74	K56-M73 WeakPolarHBondContact CA-O 3.09Å; K56-E74 WeakPolarHBondContact CE-OE1 2.97Å; K56-E74 WeakPolarHBondContact CE-OE2 3.41Å; K56-E74 HydrophobicContact CG-CB 4.42Å; K56-E74 HydrophobicContact CG-CG 4.13Å; K56-E74 IonicContact NZ-OE1 3.93Å
57	H	67.3	Low	63.9	Low	13 Å²	13	62.1 Å²	62.1	6%	0.06	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.6	-176.6	-59.5	-74.8	0	0	0	110.4	L52 K53 G55 R72 M73	L52-H57 HydrophobicContact CD1-CB 4.18Å; K53-H57 PolarHBondContact O-CE1 3.29Å; K53-H57 PolarHBondContact O-NE2 3.2Å; G55-H57 PolarHBondContact O-CD2 3.25Å; H57-R72 WeakPolarHBondContact O-CA 3.49Å; H57-M73 PolarHBondContact N-O 3.22Å; H57-M73 PolarHBondContact O-N 3.36Å
58	W	66.4	Low	64.3	Low	118 Å²	118	65.2 Å²	65.2	45%	0.447	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.3	169.8	-73.2	95.9	0	0	0	109.3	Y25 V26 Q70 F71 R72	Y25-W58 WeakPolarHBondContact CA-O 3.06Å; V26-W58 HydrophobicContact CB-CB 4.29Å; V26-W58 PolarHBondContact N-O 2.96Å; W58-Q70 HydrophobicContact CE3-CB 4.28Å; W58-Q70 HydrophobicContact CZ3-CB 4.46Å; W58-F71 WeakPolarHBondContact CA-O 3.33Å; W58-R72 HydrophobicContact CD2-CB 4.47Å; W58-R72 HydrophobicContact CD2-CG 4.44Å; W58-R72 HydrophobicContact CE3-CB 4.19Å; W58-R72 HydrophobicContact CH2-CB 4.14Å; W58-R72 HydrophobicContact CZ2-CB 4.39Å; W58-R72 HydrophobicContact CZ2-CG 4.26Å; W58-R72 HydrophobicContact CZ3-CB 4.02Å
59	I	68.2	Low	64.6	Low	3 Å²	3	68.7 Å²	68.7	2%	0.015	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.6	176	-47.3	178.2	0	0	0	107	L23 Y25 C61 Q70 F71 M73	L23-I59 HydrophobicContact CD2-CG2 3.87Å; Y25-I59 HydrophobicContact CD1-CB 4.37Å; Y25-I59 HydrophobicContact CD1-CD1 4.45Å; Y25-I59 HydrophobicContact CD1-CG1 3.83Å; Y25-I59 HydrophobicContact CD1-CG2 4.09Å; Y25-I59 HydrophobicContact CE1-CB 4.25Å; Y25-I59 HydrophobicContact CE1-CD1 3.9Å; Y25-I59 HydrophobicContact CE1-CG1 3.74Å; Y25-I59 HydrophobicContact CE1-CG2 3.66Å; I59-C61 VanDerWaalsContact CG2-SG 3.57Å; I59-Q70 CarbonylContact O-C 3.53Å; I59-Q70 WeakPolarHBondContact O-CA 3.38Å; I59-F71 PolarHBondContact N-O 3.3Å; I59-F71 PolarHBondContact O-N 3.27Å; I59-M73 HydrophobicContact CD1-CB 3.93Å; I59-M73 HydrophobicContact CD1-CE 3.83Å; I59-M73 HydrophobicContact CD1-SD 3.84Å; I59-M73 HydrophobicContact CG1-CB 4.43Å
60	T	66.9	Low	64.9	Low	19 Å²	19	73.5 Å²	73.5	12%	0.117	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127	169.9	-51.7	0	0	0	0	108.5	R24 Q70	R24-T60 PolarHBondContact N-O 3.33Å; R24-T60 PolarHBondContact O-N 3.13Å; T60-Q70 HydrophobicContact CG2-CG 3.94Å; T60-Q70 WeakPolarHBondContact OG1-CG 3.37Å; T60-Q70 PolarHBondContact OG1-NE2 3.39Å
61	C	67.1	Low	65.2	Low	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.3	-178.8	-54.3	0	0	0	0	110.4	F18 T20 L23 I59 F63 L68 Q69 F71	F18-C61 HydrophobicContact CD1-CB 3.43Å; F18-C61 VanDerWaalsContact CD1-CB 3.43Å; F18-C61 HydrophobicContact CE1-CB 3.15Å; F18-C61 VanDerWaalsContact CE1-SG 3.56Å; F18-C61 HydrophobicContact CZ-CB 4.38Å; T20-C61 HydrophobicContact CG2-CB 4.26Å; L23-C61 HydrophobicContact CD2-CB 4.12Å; L23-C61 WeakPolarHBondContact CD2-SG 3.34Å; I59-C61 VanDerWaalsContact CG2-SG 3.57Å; C61-F63 HydrophobicContact CB-CE2 4.41Å; C61-L68 WeakPolarHBondContact O-CA 2.91Å; C61-Q69 PolarHBondContact N-O 2.67Å; C61-Q69 PolarHBondContact O-N 2.88Å; C61-F71 HydrophobicContact CB-CE2 4.26Å
62	S	64.6	Low	65.6	Low	27 Å²	27	67.8 Å²	67.8	19%	0.189	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.4	167.2	-165.9	0	0	0	0	110.7	V19 T20	V19-S62 VanDerWaalsContact O-O 3.08Å; T20-S62 WeakPolarHBondContact CG2-O 3.43Å
63	F	62.6	Low	65.6	Low	26 Å²	26	68.5 Å²	68.5	11%	0.114	36%	0.359	C	S	.	.			trans	-102.1	162.4	174.9	-71.7	-99.2	0	0	0	110.7	D17 F18 C61 S65 G66 T67 Q69 F71	D17-F63 HydrophobicContact CB-CD1 4.35Å; D17-F63 HydrophobicContact CB-CE1 4.33Å; D17-F63 WeakPolarHBondContact O-CD1 3.29Å; F18-F63 HydrophobicContact CD1-CD1 4.38Å; F18-F63 HydrophobicContact CD1-CE1 4.04Å; F18-F63 HydrophobicContact CD1-CE2 4.11Å; F18-F63 AromaticContact CD1-CZ 3.9Å; F18-F63 HydrophobicContact CD1-CZ 3.9Å; F18-F63 HydrophobicContact CD2-CD1 4.48Å; F18-F63 AromaticContact CD2-CE1 3.93Å; F18-F63 HydrophobicContact CD2-CE1 3.93Å; F18-F63 HydrophobicContact CD2-CZ 4.38Å; F18-F63 HydrophobicContact CE1-CD1 4.37Å; F18-F63 HydrophobicContact CE1-CD2 4.29Å; F18-F63 AromaticContact CE1-CE1 3.63Å; F18-F63 HydrophobicContact CE1-CE1 3.63Å; F18-F63 AromaticContact CE1-CE2 3.48Å; F18-F63 HydrophobicContact CE1-CE2 3.48Å; F18-F63 VanDerWaalsContact CE1-CE2 3.48Å; F18-F63 AromaticContact CE1-CZ 3.13Å; F18-F63 HydrophobicContact CE1-CZ 3.13Å; F18-F63 AromaticContact CE2-CE1 3.56Å; F18-F63 HydrophobicContact CE2-CE1 3.56Å; F18-F63 AromaticContact CE2-CZ 3.74Å; F18-F63 HydrophobicContact CE2-CZ 3.74Å; F18-F63 HydrophobicContact CG-CE1 4.25Å; F18-F63 AromaticContact CZ-CE1 3.47Å; F18-F63 HydrophobicContact CZ-CE1 3.47Å; F18-F63 VanDerWaalsContact CZ-CE1 3.47Å; F18-F63 AromaticContact CZ-CE2 3.96Å; F18-F63 HydrophobicContact CZ-CE2 3.96Å; F18-F63 AromaticContact CZ-CZ 3.12Å; F18-F63 HydrophobicContact CZ-CZ 3.12Å; C61-F63 HydrophobicContact CB-CE2 4.41Å; F63-S65 PolarHBondContact O-N 3.11Å; F63-G66 PolarHBondContact O-N 3.19Å; F63-T67 WeakPolarHBondContact CD2-O 3.04Å; F63-T67 PolarHBondContact N-O 3.32Å; F63-Q69 HydrophobicContact CD2-CB 4.25Å; F63-Q69 HydrophobicContact CD2-CG 3.78Å; F63-Q69 HydrophobicContact CE2-CB 3.59Å; F63-Q69 HydrophobicContact CE2-CG 3.49Å; F63-Q69 VanDerWaalsContact CE2-CG 3.49Å; F63-Q69 VanDerWaalsContact CE2-OE1 3.28Å; F63-Q69 HydrophobicContact CZ-CB 4.42Å; F63-Q69 HydrophobicContact CZ-CG 4.33Å; F63-Q69 VanDerWaalsContact CZ-OE1 3.25Å; F63-F71 AromaticContact CE2-CE2 3.86Å; F63-F71 HydrophobicContact CE2-CE2 3.86Å; F63-F71 AromaticContact CE2-CZ 3.95Å; F63-F71 HydrophobicContact CE2-CZ 3.95Å; F63-F71 AromaticContact CZ-CE2 3.8Å; F63-F71 HydrophobicContact CZ-CE2 3.8Å; F63-F71 AromaticContact CZ-CZ 3.58Å; F63-F71 HydrophobicContact CZ-CZ 3.58Å
64	N	56.9	Low	65.7	Low	104 Å²	104	65.6 Å²	65.6	56%	0.556	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.1	176.2	-56	21.4	0	0	0	112.3	D17 V19 G66	D17-N64 PolarHBondContact O-OD1 3.41Å; V19-N64 WeakPolarHBondContact CA-OD1 3.48Å; V19-N64 HydrophobicContact CB-CB 4.32Å; V19-N64 WeakPolarHBondContact CB-OD1 3.25Å; V19-N64 HydrophobicContact CG2-CB 4.18Å; V19-N64 WeakPolarHBondContact CG2-ND2 3.39Å; V19-N64 WeakPolarHBondContact CG2-OD1 3.2Å; V19-N64 PolarHBondContact N-OD1 2.92Å; N64-G66 PolarHBondContact O-N 3.03Å
65	S	65.4	Low	65.6	Low	89 Å²	89	62 Å²	62	62%	0.622	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-1	175.2	58	0	0	0	0	114.3	F63 T67	F63-S65 PolarHBondContact O-N 3.11Å; S65-T67 PolarHBondContact O-N 2.9Å; S65-T67 PolarHBondContact OG-OG1 2.85Å
66	G	63.8	Low	65.5	Low	60 Å²	60	65.8 Å²	65.8	62%	0.619	35%	0.35	S	S	*	.	S	Bend	trans	74.1	2.2	-172.3	0	0	0	0	0	113.7	F63 N64	F63-G66 PolarHBondContact O-N 3.19Å; N64-G66 PolarHBondContact O-N 3.03Å
67	T	63.3	Low	65.2	Low	63 Å²	63	68 Å²	68	39%	0.387	38%	0.38	S	S	.	.			trans	-79.6	133.7	177.5	60.2	0	0	0	0	110.6	F63 S65	F63-T67 WeakPolarHBondContact CD2-O 3.04Å; F63-T67 PolarHBondContact N-O 3.32Å; S65-T67 PolarHBondContact O-N 2.9Å; S65-T67 PolarHBondContact OG-OG1 2.85Å
68	L	67.7	Low	65.1	Low	124 Å²	124	70.8 Å²	70.8	65%	0.649	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.9	167.7	-65.8	177.2	0	0	0	108.5	C61	C61-L68 WeakPolarHBondContact O-CA 2.91Å
69	Q	65.7	Low	65	Low	80 Å²	80	68.3 Å²	68.3	37%	0.374	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	170.1	-46	-178	-23.1	0	0	110.7	C61 F63 F71	C61-Q69 PolarHBondContact N-O 2.67Å; C61-Q69 PolarHBondContact O-N 2.88Å; F63-Q69 HydrophobicContact CD2-CB 4.25Å; F63-Q69 HydrophobicContact CD2-CG 3.78Å; F63-Q69 HydrophobicContact CE2-CB 3.59Å; F63-Q69 HydrophobicContact CE2-CG 3.49Å; F63-Q69 VanDerWaalsContact CE2-CG 3.49Å; F63-Q69 VanDerWaalsContact CE2-OE1 3.28Å; F63-Q69 HydrophobicContact CZ-CB 4.42Å; F63-Q69 HydrophobicContact CZ-CG 4.33Å; F63-Q69 VanDerWaalsContact CZ-OE1 3.25Å; Q69-F71 HydrophobicContact CB-CE2 3.91Å; Q69-F71 HydrophobicContact CB-CZ 3.89Å
70	Q	71.2	Confident	64.8	Low	125 Å²	125	71.9 Å²	71.9	58%	0.584	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.6	178.2	-58.5	-169.1	-56.1	0	0	109.8	W58 I59 T60	W58-Q70 HydrophobicContact CE3-CB 4.28Å; W58-Q70 HydrophobicContact CZ3-CB 4.46Å; I59-Q70 CarbonylContact O-C 3.53Å; I59-Q70 WeakPolarHBondContact O-CA 3.38Å; T60-Q70 HydrophobicContact CG2-CG 3.94Å; T60-Q70 WeakPolarHBondContact OG1-CG 3.37Å; T60-Q70 PolarHBondContact OG1-NE2 3.39Å
71	F	69	Low	64.7	Low	25 Å²	25	75 Å²	75	11%	0.11	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142	176.5	-58.2	-83.1	0	0	0	109.4	Y9 M14 F18 W58 I59 C61 F63 Q69	Y9-F71 AromaticContact CD2-CD1 3.91Å; Y9-F71 HydrophobicContact CD2-CD1 3.91Å; Y9-F71 AromaticContact CD2-CE1 3.53Å; Y9-F71 HydrophobicContact CD2-CE1 3.53Å; Y9-F71 HydrophobicContact CE2-CD1 4.31Å; Y9-F71 AromaticContact CE2-CE1 3.59Å; Y9-F71 HydrophobicContact CE2-CE1 3.59Å; Y9-F71 HydrophobicContact CG-CE1 4.44Å; M14-F71 HydrophobicContact CE-CD2 4.06Å; M14-F71 HydrophobicContact CE-CE2 4.4Å; M14-F71 HydrophobicContact CE-CG 4.39Å; F18-F71 AromaticContact CE1-CE2 3.89Å; F18-F71 HydrophobicContact CE1-CE2 3.89Å; F18-F71 AromaticContact CZ-CE2 3.84Å; F18-F71 HydrophobicContact CZ-CE2 3.84Å; F18-F71 HydrophobicContact CZ-CZ 4.11Å; W58-F71 WeakPolarHBondContact CA-O 3.33Å; I59-F71 PolarHBondContact N-O 3.3Å; I59-F71 PolarHBondContact O-N 3.27Å; C61-F71 HydrophobicContact CB-CE2 4.26Å; F63-F71 AromaticContact CE2-CE2 3.86Å; F63-F71 HydrophobicContact CE2-CE2 3.86Å; F63-F71 AromaticContact CE2-CZ 3.95Å; F63-F71 HydrophobicContact CE2-CZ 3.95Å; F63-F71 AromaticContact CZ-CE2 3.8Å; F63-F71 HydrophobicContact CZ-CE2 3.8Å; F63-F71 AromaticContact CZ-CZ 3.58Å; F63-F71 HydrophobicContact CZ-CZ 3.58Å; Q69-F71 HydrophobicContact CB-CE2 3.91Å; Q69-F71 HydrophobicContact CB-CZ 3.89Å
72	R	68.3	Low	64.5	Low	101 Å²	101	79.7 Å²	79.7	38%	0.381	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.7	168.3	-163.7	-178.4	84.8	-171.6	4	108.3	H57 W58	H57-R72 WeakPolarHBondContact O-CA 3.49Å; W58-R72 HydrophobicContact CD2-CB 4.47Å; W58-R72 HydrophobicContact CD2-CG 4.44Å; W58-R72 HydrophobicContact CE3-CB 4.19Å; W58-R72 HydrophobicContact CH2-CB 4.14Å; W58-R72 HydrophobicContact CZ2-CB 4.39Å; W58-R72 HydrophobicContact CZ2-CG 4.26Å; W58-R72 HydrophobicContact CZ3-CB 4.02Å
73	M	65.7	Low	64.5	Low	31 Å²	31	83.2 Å²	83.2	15%	0.153	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.5	174.3	-170.1	176.6	67.6	0	0	109.2	I49 L52 K56 H57 I59 L75	I49-M73 HydrophobicContact CD1-CE 4.32Å; I49-M73 HydrophobicContact CD1-SD 4.1Å; I49-M73 HydrophobicContact CG1-CE 3.81Å; I49-M73 HydrophobicContact CG1-SD 4.25Å; I49-M73 HydrophobicContact CG2-CE 4.19Å; L52-M73 HydrophobicContact CD1-CE 3.62Å; K56-M73 WeakPolarHBondContact CA-O 3.09Å; H57-M73 PolarHBondContact N-O 3.22Å; H57-M73 PolarHBondContact O-N 3.36Å; I59-M73 HydrophobicContact CD1-CB 3.93Å; I59-M73 HydrophobicContact CD1-CE 3.83Å; I59-M73 HydrophobicContact CD1-SD 3.84Å; I59-M73 HydrophobicContact CG1-CB 4.43Å; M73-L75 HydrophobicContact CE-CD1 4.05Å; M73-L75 HydrophobicContact CE-CD2 3.72Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.45Å; M73-L75 HydrophobicContact SD-CD2 4.14Å
74	E	66.3	Low	64.7	Low	119 Å²	119	87.3 Å²	87.3	56%	0.556	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	117	174.2	-176	158	-162.8	0	0	107.9	G55 K56	G55-E74 WeakPolarHBondContact O-CA 3.29Å; K56-E74 WeakPolarHBondContact CE-OE1 2.97Å; K56-E74 WeakPolarHBondContact CE-OE2 3.41Å; K56-E74 HydrophobicContact CG-CB 4.42Å; K56-E74 HydrophobicContact CG-CG 4.13Å; K56-E74 IonicContact NZ-OE1 3.93Å
75	L	61.7	Low	65.3	Low	35 Å²	35	86 Å²	86	18%	0.183	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.2	177.1	-66.2	176.1	0	0	0	108.7	I49 L52 G55 M73	I49-L75 HydrophobicContact CG2-CD1 4.5Å; I49-L75 HydrophobicContact CG2-CD2 3.92Å; L52-L75 HydrophobicContact CB-CD1 3.37Å; L52-L75 HydrophobicContact CD1-CD1 4.12Å; L52-L75 HydrophobicContact CG-CD1 4.38Å; G55-L75 PolarHBondContact N-O 2.81Å; G55-L75 PolarHBondContact O-N 3.26Å; M73-L75 HydrophobicContact CE-CD1 4.05Å; M73-L75 HydrophobicContact CE-CD2 3.72Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.45Å; M73-L75 HydrophobicContact SD-CD2 4.14Å
76	S	62.6	Low	65.2	Low	109 Å²	109	85.8 Å²	85.8	76%	0.762	49%	0.488	S	S	*	.			trans	-79.2	146	166.8	53.8	0	0	0	0	110.1
77	S	57.6	Low	65.4	Low	157 Å²	157	88.1 Å²	88.1	100%	1.098	48%	0.476	S	S	*	.			trans	-56.8	0	172.2	56.4	0	0	0	0	113	N54	N54-S77 WeakPolarHBondContact ND2-CB 3.48Å

Retrieved 77 of 77 residues in 79.6 ms (Link to these results)

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